SCHEMBL17488182

SCHEMBL17488182

Nc1ccc2[nH]c(NCc3ccc(Oc4ccc(Cl)cc4)cn3)nc2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR2 O95136 1/20 0.38
SCN9A Q15858 3/20 0.37
KCNH2 Q12809 2/20 0.37
SCN5A Q14524 2/20 0.37
MAOA P21397 1/20 0.37
MAOB P27338 1/20 0.37
LTA4H P09960 2/20 0.36
HPSE Q9Y251 1/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
GFER P55789 1/20 0.35
RAB9A P51151 3/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
TP53 P04637 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
MAPKAPK2 P49137 1/20 0.34
RPS6KA3 P51812 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL17487331 0.86 RAB9A (0.45) MAOAMAOBHPSEMEN1KMT2A
SCHEMBL17487952 0.83 RAB9A (0.41) HPSEMEN1KMT2AGFERRAB9A
SCHEMBL17488058 0.82 MEN1 (0.43) SCN9AKCNH2SCN5AMAOAMAOB
SCHEMBL17488152 0.82 RAB9A (0.39) S1PR2SCN9AKCNH2HPSEMEN1
SCHEMBL17487924 0.81 RAB9A (0.43) MAOAMAOBMEN1KMT2AGFER
SCHEMBL17488063 0.80 KDR (0.40) SCN9AKCNH2SCN5AMAOAMAOB
SCHEMBL18960390 0.80 CYP3A4 (0.44) MAOAMAOBLTA4HHPSERAB9A
SCHEMBL17487957 0.80 CYP3A4 (0.41) MEN1KMT2AGFERRAB9ATP53
SCHEMBL17487379 0.79 RAB9A (0.48) S1PR2MEN1KMT2AGFERRAB9A
SCHEMBL17488059 0.79 TEC (0.45) MAOAMAOBRAB9ATP53SMN1; SMN2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170166563-A1 2-AMINO-BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS 5-LIPOXYGENASE AND/OR PROSTAGLANDIN E SYNTHASE INHIBITORS INSTITUT PASTEUR KOREA (KR) 2017-06-15 US disclosed
US-20170166563-A1 2-AMINO-BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS 5-LIPOXYGENASE AND/OR PROSTAGLANDIN E SYNTHASE INHIBITORS INSTITUT PASTEUR KOREA (KR) 2017-06-15 US disclosed
WO-2016016421-A1 2-AMINO-BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS 5-LIPOXYGENASE AND/OR PROSTAGLANDIN E SYNTHASE INHIBITORS INSTITUT PASTEUR KOREA (KR) 2016-02-04 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20170166563-A1 2-AMINO-BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS 5-LIPOXYGENASE AND/OR PROSTAGLANDIN E SYNTHASE INHIBITORS ALOX5, ALOX15, ALOX12 S1PR2 2506/4885SCN9A 2973/4885KCNH2 3490/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.